%chk=000200897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200897

0 1
O -1.724354 -1.076477 2.008031
O 3.592269 0.506561 -0.568416
N -2.391703 1.996608 -1.068386
C -1.674408 -0.278070 -0.329413
C -0.952267 -1.087492 0.786751
C -3.040338 -0.910862 -0.646648
C -0.842102 -2.586401 0.436641
C -2.885650 -2.381402 -1.052760
C -2.204357 -3.182156 0.064103
C -1.822347 1.207144 0.073910
C 0.440918 -0.528862 1.090216
C 1.339087 -0.284684 0.037616
C 0.823735 -0.287343 2.411299
C -1.356855 2.238311 -2.118337
C -2.934617 3.298591 -0.575034
C 2.609318 0.212519 0.346379
C 2.102563 0.214044 2.697177
C 3.007649 0.473548 1.675643
C 3.327038 0.241554 -1.983054
C 4.617937 0.659392 -2.659411
H -1.043209 -0.335992 -1.251649
H -3.532712 -0.332489 -1.453876
H -3.706041 -0.832927 0.234284
H -0.429325 -3.123541 1.314982
H -0.117914 -2.724189 -0.386511
H -2.303217 -2.460055 -1.989492
H -3.878800 -2.814763 -1.274774
H -2.851616 -3.183720 0.966327
H -2.083433 -4.238106 -0.237321
H -0.842428 1.602812 0.422913
H -2.519220 1.282760 0.937817
H -2.126045 -0.199716 2.161105
H 1.042145 -0.483503 -0.985487
H 0.128306 -0.507961 3.222345
H -0.992155 1.267377 -2.491308
H -0.490443 2.829788 -1.788055
H -1.827646 2.756360 -2.968942
H -3.757487 3.099401 0.129987
H -3.368973 3.849633 -1.424807
H -2.201235 3.951967 -0.080850
H 2.388281 0.398323 3.733127
H 4.003635 0.861436 1.870053
H 3.110234 -0.833835 -2.102010
H 2.462880 0.851797 -2.295569
H 4.568144 0.513584 -3.743940
H 4.845246 1.717127 -2.465303
H 5.472112 0.083306 -2.275551


%chk=000200897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200897

0 1
O -1.849522 -0.922346 2.086566
O 3.593975 0.587866 -0.515902
N -2.202107 1.958486 -1.281417
C -1.680188 -0.329896 -0.327472
C -0.999927 -1.074650 0.872181
C -3.061476 -0.948689 -0.656276
C -0.963393 -2.608195 0.616336
C -2.968474 -2.462647 -0.943495
C -2.346173 -3.197774 0.264453
C -1.812114 1.193215 -0.069209
C 0.435196 -0.592762 1.180504
C 1.322837 -0.203250 0.142495
C 0.906634 -0.608686 2.515958
C -1.106771 2.086178 -2.262848
C -2.781596 3.275660 -0.944769
C 2.652141 0.177630 0.443906
C 2.238423 -0.226855 2.807371
C 3.116563 0.169849 1.782764
C 3.170252 0.626143 -1.928712
C 4.373882 1.100092 -2.738731
H -1.030644 -0.491014 -1.212591
H -3.492441 -0.398503 -1.512755
H -3.732714 -0.791174 0.211940
H -0.549162 -3.090376 1.521031
H -0.249769 -2.797832 -0.210160
H -2.343905 -2.634889 -1.846097
H -3.973463 -2.870202 -1.166409
H -3.013762 -3.092914 1.140306
H -2.241039 -4.280161 0.054474
H -0.863342 1.594367 0.370465
H -2.614551 1.346093 0.680315
H -1.791273 0.020702 2.388255
H 0.974290 -0.195688 -0.893412
H 0.233777 -0.934559 3.314949
H -0.774817 1.089830 -2.603100
H -0.214708 2.631022 -1.855956
H -1.470027 2.636610 -3.149030
H -3.656810 3.139468 -0.285119
H -3.124804 3.777302 -1.867717
H -2.061518 3.961548 -0.428904
H 2.594232 -0.243340 3.843806
H 4.148823 0.470160 1.986839
H 2.846475 -0.387010 -2.246210
H 2.311282 1.321489 -2.039034
H 4.114409 1.149837 -3.811970
H 4.694940 2.102766 -2.408646
H 5.222963 0.406497 -2.615170


